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Issue 16, 2016

The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

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Abstract

Borophene (a two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of borophene by first-principles calculations. The band structure of borophene shows highly anisotropic metallic behaviour. The obtained optical properties of borophene exhibit strong anisotropy as well. Finally, the thermodynamic properties are investigated based on the phonon properties.

Graphical abstract: The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

Article information


Submitted
10 Jan 2016
Accepted
29 Mar 2016
First published
08 Apr 2016

J. Mater. Chem. C, 2016,4, 3592-3598
Article type
Paper

The electronic, optical, and thermodynamic properties of borophene from first-principles calculations

B. Peng, H. Zhang, H. Shao, Y. Xu, R. Zhang and H. Zhu, J. Mater. Chem. C, 2016, 4, 3592 DOI: 10.1039/C6TC00115G

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